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Rigid Rotor

The rigid rotor is the pure angular-motion problem. In the simplest linear rotor, the radius or bond length is fixed, so the only remaining degrees of freedom are the orientation angles on a sphere. The Hamiltonian is proportional to the angular-momentum Casimir:

Hrot=L22I.H_{\rm rot} = \frac{L^2}{2I}.

This makes the rotor a clean model of how rotational symmetry organizes quantum states. The full wave-mechanics model, normalization, molecular interpretation, and spectroscopy details live in Rigid Rotor in the Wave Mechanics volume. This page focuses on the symmetry content.

The rigid rotor sits at the intersection of model physics and angular-momentum representation theory.

QuestionCanonical home
What is the full rotor model and its molecular interpretation?Rigid Rotor
Why are the eigenstates spherical harmonics?Spherical Harmonics
Why does the energy depend on J(J+1)J(J+1)?this page
How do real rotational spectra and external fields modify the ideal model?Rotational Spectra and Rotor in External Fields

Here “rigid rotor” means the ideal linear rotor with fixed moment of inertia II. More general symmetric and asymmetric tops have richer rotational Hamiltonians and are not treated as the main model here.

A linear rotor orientation is a point on the sphere:

Ω=(θ,ϕ)∈S2.\Omega=(\theta,\phi)\in S^2.

The Hilbert space is

L2(S2,dΩ),L^2(S^2,d\Omega),

with

dΩ=sin⁡θ dθ dϕ.d\Omega=\sin\theta\,d\theta\,d\phi.

The wavefunction Ψ(θ,ϕ)\Psi(\theta,\phi) is a scalar function on the sphere. For this ideal scalar rotor, ordinary single-valuedness on S2S^2 implies integer angular-momentum labels. Spinor rotor states, nuclear exchange restrictions, and molecular symmetry constraints are separate refinements.

The rotational kinetic energy of an isotropic linear rotor is

Hrot=L22I,H_{\rm rot} = \frac{L^2}{2I},

where II is the moment of inertia. Since

L2=−ℏ2ΔS2,L^2=-\hbar^2\Delta_{S^2},

the Hamiltonian is the angular Laplacian on the sphere multiplied by −ℏ2/(2I)-\hbar^2/(2I).

The important symmetry point is that L2L^2 is the Casimir operator of the rotation algebra. It commutes with every component:

[L2,Li]=0.[L^2,L_i]=0.

Therefore

[Hrot,Li]=0,i=x,y,z.[H_{\rm rot},L_i]=0, \qquad i=x,y,z.

The ideal rotor is fully rotationally invariant. Its energy cannot depend on the orientation label MM relative to an arbitrary chosen zz axis.

The simultaneous eigenstates of L2L^2 and LzL_z are spherical harmonics:

ΨJM(θ,ϕ)=YJM(θ,ϕ).\Psi_{JM}(\theta,\phi) = Y_J^M(\theta,\phi).

They satisfy

L2YJM=ℏ2J(J+1)YJM,L^2Y_J^M = \hbar^2J(J+1)Y_J^M,

and

LzYJM=ℏMYJM.L_zY_J^M = \hbar M Y_J^M.

The allowed labels for an ordinary scalar rotor are

J=0,1,2,…,J=0,1,2,\ldots,

and

M=−J,−J+1,…,J.M=-J,-J+1,\ldots,J.

This page uses the molecular-rotor convention J,MJ,M. The same mathematical labels are often written ℓ,m\ell,m in central-potential wave mechanics.

Acting with HrotH_{\rm rot} on YJMY_J^M gives

HrotYJM=ℏ22IJ(J+1)YJM.H_{\rm rot}Y_J^M = \frac{\hbar^2}{2I}J(J+1)Y_J^M.

Thus

EJ=ℏ22IJ(J+1).E_J = \frac{\hbar^2}{2I}J(J+1).

It is common to define the rotational constant

B=ℏ22I,B=\frac{\hbar^2}{2I},

so that

EJ=BJ(J+1).E_J=BJ(J+1).

The spacing between adjacent levels is

EJ+1−EJ=2B(J+1).E_{J+1}-E_J = 2B(J+1).

The levels are not evenly spaced in energy. The transition lines of the ideal dipole rotor can still form a regular ladder because allowed transitions connect adjacent JJ values.

For fixed JJ, there are

2J+12J+1

allowed MM values. Since HrotH_{\rm rot} depends only on L2L^2, all MM states in the same JJ multiplet have the same energy:

gJ=2J+1.g_J=2J+1.

This degeneracy is the representation-theoretic signature of rotational invariance. A weak external electric or magnetic field selects a physical axis and can split the MM levels. Anisotropic molecular environments or nonideal rotor terms can also break the simple degeneracy.

The angular part of a central-potential wavefunction is also a spherical harmonic:

ψ(r,θ,ϕ)=Rαℓ(r)Yℓm(θ,ϕ).\psi(r,\theta,\phi) = R_{\alpha\ell}(r)Y_\ell^m(\theta,\phi).

The difference is that a central-potential particle still has radial motion. The rigid rotor freezes the radial coordinate, so the angular factor is the whole configuration-space wavefunction.

This makes the rotor useful pedagogically:

  • it isolates the L2L^2 eigenvalue problem;
  • it shows the 2J+12J+1 degeneracy without a radial equation;
  • it gives a physical model where spherical harmonics are literal stationary states;
  • it prepares the selection-rule machinery used in rotational spectroscopy.

For a polar linear rotor, electric-dipole rotational transitions are controlled by how the dipole operator transforms under rotations. The dipole is a vector operator, so it carries angular momentum rank one.

The basic rotational selection rule for the ideal linear rotor is

ΔJ=±1,\Delta J=\pm1,

with ΔM=0,±1\Delta M=0,\pm1 depending on polarization and the chosen quantization axis. The detailed tensor-operator derivation belongs to Applications to Molecular Rotations and the line-position application belongs to Rotational Spectra.

This rule is not a statement that the rotor can only have neighboring energy levels. It is a statement about which matrix elements of the dipole operator are allowed by angular momentum.

  • Using half-integer JJ labels for an ordinary scalar rotor on S2S^2.
  • Forgetting that the MM degeneracy follows from rotational invariance and can be split by external fields.
  • Confusing the rotational constant BB with a magnetic field.
  • Treating the spherical harmonic shape as a classical orientation of a rigid rod.
  • Assuming the ideal rotor includes vibration, centrifugal distortion, spin, nuclear exchange symmetry, or electronic structure.
  • Applying ΔJ=±1\Delta J=\pm1 as a universal rule for every perturbation; it is the electric-dipole rule for the ideal linear polar rotor.
  • A. R. Edmonds, Angular Momentum in Quantum Mechanics, Princeton University Press, 1957.
  • R. N. Zare, Angular Momentum: Understanding Spatial Aspects in Chemistry and Physics, Wiley, 1988.
  • J. M. Brown and A. Carrington, Rotational Spectroscopy of Diatomic Molecules, Cambridge University Press, 2003.
  • R. Shankar, Principles of Quantum Mechanics, 2nd ed., Springer, 1994.
  1. Find the energy and degeneracy of the J=2J=2 level.
Solution

The energy formula is

EJ=BJ(J+1).E_J=BJ(J+1).

For J=2J=2,

E2=B(2)(3)=6B.E_2=B(2)(3)=6B.

The degeneracy is

gJ=2J+1,g_J=2J+1,

so

g2=5.g_2=5.

The allowed MM values are

M=−2,−1,0,1,2.M=-2,-1,0,1,2.
  1. Explain why the ideal rotor energy does not depend on MM.
Solution

The ideal rotor Hamiltonian is

Hrot=L22I.H_{\rm rot}=\frac{L^2}{2I}.

It depends on the Casimir L2L^2, not on any chosen component such as LzL_z. Since

L2YJM=ℏ2J(J+1)YJM,L^2Y_J^M=\hbar^2J(J+1)Y_J^M,

all states with the same JJ and different MM have the same energy. Physically, the free rotor has no preferred spatial axis, so different orientations of the angular momentum multiplet are degenerate.

  1. Compare the rigid rotor with a central-potential bound state.
Solution

Both use spherical harmonics as angular eigenfunctions. For a central potential,

ψαℓm(r,θ,ϕ)=Rαℓ(r)Yℓm(θ,ϕ),\psi_{\alpha\ell m}(r,\theta,\phi) = R_{\alpha\ell}(r)Y_\ell^m(\theta,\phi),

so the radial function carries additional dynamics. For the rigid rotor, the radius is fixed and the wavefunction is just

ΨJM(θ,ϕ)=YJM(θ,ϕ).\Psi_{JM}(\theta,\phi)=Y_J^M(\theta,\phi).

Thus the rotor isolates the angular part of the central-potential separation problem.

  1. Why does the ideal scalar rotor have integer JJ values rather than half-integer values?
Solution

The ideal scalar rotor wavefunction is an ordinary single-valued function on S2S^2. Its angular eigenfunctions are spherical harmonics, which carry integer angular momentum labels:

J=0,1,2,….J=0,1,2,\ldots.

Half-integer labels arise from spinor representations of the SU(2)SU(2) double cover, not from ordinary scalar functions on the sphere.